CID 111949

Einecs 273-397-3

Structural Information

Molecular Formula
C16H11N3O6S
SMILES
C1=CC(=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])O)S(=O)(=O)O
InChI
InChI=1S/C16H11N3O6S/c20-15-8-2-10-1-7-13(26(23,24)25)9-14(10)16(15)18-17-11-3-5-12(6-4-11)19(21)22/h1-9,20H,(H,23,24,25)
InChIKey
RJQPSYFFJOLUPJ-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03687 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04415 176.6
[M+Na]+ 396.02609 183.0
[M-H]- 372.02959 184.4
[M+NH4]+ 391.07069 187.9
[M+K]+ 412.00003 174.9
[M+H-H2O]+ 356.03413 172.4
[M+HCOO]- 418.03507 197.0
[M+CH3COO]- 432.05072 211.2
[M+Na-2H]- 394.01154 186.9
[M]+ 373.03632 178.3
[M]- 373.03742 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.